Information card for entry 2020834

Structure parameters

• Chemical name: Tricarbonyl[(1',2',3',4',5',6'-η)-4-fluoro-1,1'-biphenyl]chromium(0)
• Formula: C15 H9 Cr F O3
• Calculated formula: C15 H9 Cr F O3
• SMILES: [Cr]12345([c]6([cH]1[cH]2[cH]3[cH]4[cH]56)c1ccc(F)cc1)(C#[O])(C#[O])C#[O]
• Title of publication: Intricacies of ligand coordination in tricarbonylchromium(0) complexes with <i>ortho</i>- and <i>para</i>-fluorobiphenyls
• Authors of publication: Guzei, Ilia A.; Spencer, Lara C.; Buechel, Sondra C.; Kaufmann, Leah B.; Czerwinski, Curtis J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 8
• a: 7.0616 ± 0.0005 Å
• b: 28.3503 ± 0.0019 Å
• c: 7.0571 ± 0.0004 Å
• α: 90°
• β: 114.324 ± 0.005°
• γ: 90°
• Cell volume: 1287.41 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes